2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide

C28H31N3O — CID 16982550

IUPAC2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2CCCc2ccccc2)c(C)c1
InChIInChI=1S/C28H31N3O/c1-21-16-17-24(22(2)20-21)28(32)29-18-8-15-27-30-25-13-6-7-14-26(25)31(27)19-9-12-23-10-4-3-5-11-23/h3-7,10-11,13-14,16-17,20H,8-9,12,15,18-19H2,1-2H3,(H,29,32)
InChIKeyVKJQUXPELWRUHS-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.65
Rot. Bonds9

About 2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide

2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982550) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16982550
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2CCCc2ccccc2)c(C)c1
InChIInChI=1S/C28H31N3O/c1-21-16-17-24(22(2)20-21)28(32)29-18-8-15-27-30-25-13-6-7-14-26(25)31(27)19-9-12-23-10-4-3-5-11-23/h3-7,10-11,13-14,16-17,20H,8-9,12,15,18-19H2,1-2H3,(H,29,32)
InChIKeyVKJQUXPELWRUHS-UHFFFAOYSA-N
XLogP5.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389
2,4-dimethyl-N-[3-[1-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989477
2,4-dimethyl-N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]benzamide
CID 16982506
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16982511
N-[3-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982662

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide (CID 16982550) is 2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide is Cc1ccc(C(=O)NCCCc2nc3ccccc3n2CCCc2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is VKJQUXPELWRUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-21-16-17-24(22(2)20-21)28(32)29-18-8-15-27-30-25-13-6-7-14-26(25)31(27)19-9-12-23-10-4-3-5-11-23/h3-7,10-11,13-14,16-17,20H,8-9,12,15,18-19H2,1-2H3,(H,29,32).
What are the key properties of 2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 425.58 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).